SCHEMBL7982444

SCHEMBL7982444

Cc1cc(C(=O)O)c(C(=O)O)c2c3ccccc3n(C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
MAPT P10636 2/20 0.53
EGFR P00533 5/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 2/20 0.46
ALKBH5 Q6P6C2 1/20 0.43
FTO Q9C0B1 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
NQO2 P16083 1/20 0.42
ATM Q13315 1/20 0.41
SRC P12931 4/20 0.41
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACLY P53396 1/20 0.39
FABP4 P15090 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31670425 0.81 KDM4E (0.66) KDM4EMAPTEGFRALDH1A1HPGD
SCHEMBL7971245 0.77 EGFR (0.53) KDM4EMAPTEGFRALDH1A1HPGD
SCHEMBL21043614 0.74 EGFR (0.57) KDM4EMAPTEGFRALDH1A1HPGD
SCHEMBL5337894 0.72 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL20595409 0.71 KDM4E (0.53) KDM4EMAPTEGFRALDH1A1HPGD
SCHEMBL24010348 0.71 ALKBH5 (0.56) KDM4EEGFRALDH1A1HPGDHSD17B10
SCHEMBL26214696 0.71 KDM4E (0.64) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11250963 0.71 EGFR (0.56) KDM4EMAPTEGFRALDH1A1HPGD
SCHEMBL984736 0.71 EGFR (0.65) KDM4EMAPTEGFRALDH1A1HPGD
SCHEMBL30443220 0.71 EGFR (0.65) KDM4EMAPTEGFRALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300340-B1 USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
US-6162822-A Bisimide compounds ADIR ET COMPAGNIE (FR) 2000-12-19 US disclosed
US-5854273-A Bisimide compounds ADIR ET COMPAGNIE (FR) 1998-12-29 US disclosed